Compounds in cluster

32 molecules are shown

Wt: 208.2
BDBM50401348

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Wt: 404.7
BDBM50427066

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50401348,50427066
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50427066 (CHEMBL2322888) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3/MIP-1alpha-induced chemotaxis				Bioorg Med Chem Lett 23: 1228-31 (2013) Article DOI: 10.1016/j.bmcl.2013.01.005 BindingDB Entry DOI: 10.7270/Q2NZ88Z2
ChemoCentryx, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50427066 (CHEMBL2322888) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3/MIP-1alpha-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 23: 1228-31 (2013) Article DOI: 10.1016/j.bmcl.2013.01.005 BindingDB Entry DOI: 10.7270/Q2NZ88Z2
ChemoCentryx, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50427066 (CHEMBL2322888) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells				Bioorg Med Chem Lett 23: 1228-31 (2013) Article DOI: 10.1016/j.bmcl.2013.01.005 BindingDB Entry DOI: 10.7270/Q2NZ88Z2
ChemoCentryx, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	850	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50401348 (CHEMBL593442) Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	520	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair